SCHEMBL22980438

SCHEMBL22980438

Clc1cnc2c(Br)cccc2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
ELANE P08246 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GRM2 Q14416 2/20 0.36
BACE1 P56817 2/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36
NQO2 P16083 4/20 0.35
PARP1 P09874 1/20 0.34
ACHE P22303 1/20 0.33
C1R P00736 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NOS1 P29475 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2799754 0.85 PDPK1 (0.38) PDPK1ELANEALDH1A1GRM2BACE1
SCHEMBL30592385 0.80 ADORA3 (0.41) ALDH1A1NQO2PARP1ACHEKDM4E
SCHEMBL2320859 0.80 ADORA3 (0.41) ALDH1A1NQO2PARP1ACHEKDM4E
SCHEMBL9954808 0.77 NPC1 (0.39) ALDH1A1NQO2PARP1ACHEKMT2A
SCHEMBL6422445 0.77 ADRA2A (0.40) ALDH1A1BACE1NQO2ACHEKDM4E
SCHEMBL11842508 0.77 ALDH1A1 (0.50) ALDH1A1NQO2PARP1ACHEKMT2A
SCHEMBL31180566 0.77 NQO2 (0.43) ALDH1A1BACE1NQO2PARP1ACHE
SCHEMBL14486329 0.75 NQO2 (0.36) ALDH1A1GRM2NQO2
SCHEMBL24276712 0.74 NQO2 (0.50) PDPK1ALDH1A1BACE1NQO2ACHE
SCHEMBL15228704 0.74 TDP1 (0.52) PDPK1ELANEALDH1A1GRM2BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250221988-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2025-07-10 US disclosed
EP-4504716-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2025-02-12 EP disclosed
WO-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 WO disclosed
WO-2023193760-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2023-10-12 WO disclosed
US-20220289753-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-09-15 US disclosed
CN-114728935-A SHP2 inhibitor IRBM股份公司 2022-07-08 CN disclosed
EP-4010335-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2022-06-15 EP disclosed
WO-2021028362-A1 SHP2 INHIBITORS IRBM S.P.A. (IT) 2021-02-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250221988-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GSS, G6PC1 PDPK1 1459/4885ELANE 1245/4885ALDH1A1 898/4885
US-20220289753-A1 SHP2 INHIBITORS PTPN1, PTPN2, PTPN7 PDPK1 199/4885ELANE 3284/4885ALDH1A1 3677/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.